7-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one

C18H20N4O2S — CID 2461965

IUPAC7-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCOc1ccccc1N1CCN(Cc2cc(=O)n3ccsc3n2)CC1
InChIInChI=1S/C18H20N4O2S/c1-24-16-5-3-2-4-15(16)21-8-6-20(7-9-21)13-14-12-17(23)22-10-11-25-18(22)19-14/h2-5,10-12H,6-9,13H2,1H3
InChIKeyBGTOISNUNTZMRZ-UHFFFAOYSA-N
MW356.45 g/mol
LogP2.09
Rot. Bonds4

About 7-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one

7-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one (PubChem CID 2461965) has the molecular formula C18H20N4O2S and a molecular weight of 356.45 g/mol. Its IUPAC name is 7-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name7-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
PubChem CID2461965
Molecular FormulaC18H20N4O2S
Molecular Weight356.45 g/mol
Exact Mass356.13
IUPAC Name7-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCOc1ccccc1N1CCN(Cc2cc(=O)n3ccsc3n2)CC1
InChIInChI=1S/C18H20N4O2S/c1-24-16-5-3-2-4-15(16)21-8-6-20(7-9-21)13-14-12-17(23)22-10-11-25-18(22)19-14/h2-5,10-12H,6-9,13H2,1H3
InChIKeyBGTOISNUNTZMRZ-UHFFFAOYSA-N
XLogP2.09
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.45
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

3-(2-methoxyphenyl)-2-(propylthio)-6,7-dihydrothieno[3,2-d]pyrimidin-4(3H)-one
CID 2155273
3-{4-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-butyl}-2,2-dimethyl-thiazolidin-4-one
CID 10571658
3-{4-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-butyl}-5,5-dimethyl-thiazolidin-4-one
CID 10595767
3-{4-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-butyl}-5-methyl-thiazolidin-4-one
CID 10808722
2-[4-(2-Methoxyphenyl)piperazin-1-yl]-3,5,7,8-tetrahydrothiopyrano[4,3-d]pyrimidin-4-one
CID 155521523
3-(2-methoxyphenyl)-N-phenyl-1,3-thiazinan-2-imine
CID 302451
N-(4-fluorophenyl)-2-((3-(2-methoxyphenyl)-4-oxo-3,4,6,7-tetrahydrothieno[3,2-d]pyrimidin-2-yl)thio)acetamide
CID 2155253
N-cyclohexyl-2-[[3-(2-methoxyphenyl)-4-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]sulfanyl]acetamide
CID 2155260
3-(4-Methoxyphenyl)-2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one
CID 2155295
7-[[4-(2-Hydroxyphenyl)piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 2535899
2-(3-ethyl-5-methyl-7-oxo-2-thioxo-2,3-dihydrothiazolo[4,5-d]pyrimidin-6(7H)-yl)-N-(2-methoxyphenyl)acetamide
CID 8029633
2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-N-(2-methoxyphenyl)acetamide
CID 15945708

Frequently Asked Questions

What is the IUPAC name of 7-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 7-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one (CID 2461965) is 7-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 7-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 7-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one is COc1ccccc1N1CCN(Cc2cc(=O)n3ccsc3n2)CC1.
What is the InChIKey of 7-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is BGTOISNUNTZMRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O2S/c1-24-16-5-3-2-4-15(16)21-8-6-20(7-9-21)13-14-12-17(23)22-10-11-25-18(22)19-14/h2-5,10-12H,6-9,13H2,1H3.
What are the key properties of 7-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
7-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 356.45 g/mol, XLogP of 2.09, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 2461965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).